Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl octyl ester

InChI

InChI=1S/C22H33ClO4/c1-4-7-8-9-10-11-16-26-20(24)22(5-2,6-3)21(25)27-17-18-12-14-19(23)15-13-18/h12-15H,4-11,16-17H2,1-3H3

InChI Key

ZDINXZUJBBTARU-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

396.95

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[462.10; 1058.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.52000e+00
Coefficient B			1.97846e+00
Coefficient C			-1.14016e-03
Coefficient D			2.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	462.10	J/mol×K	273.00	Calculated Property
Cp,gas	569.40	J/mol×K	353.78	Calculated Property
Cp,gas	664.85	J/mol×K	434.56	Calculated Property
Cp,gas	749.12	J/mol×K	515.33	Calculated Property
Cp,gas	822.91	J/mol×K	596.11	Calculated Property
Cp,gas	886.90	J/mol×K	676.89	Calculated Property
Cp,gas	941.79	J/mol×K	757.67	Calculated Property
Cp,gas	988.26	J/mol×K	838.44	Calculated Property
Cp,gas	1027.01	J/mol×K	919.22	Calculated Property
Cp,gas	1058.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005076; 0.0000397]	Pa×s	[493.64; 764.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47882e+01
Coefficient B			3.55542e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			493.64
Temperature range, max.			764.13
η	0.0005076	Pa×s	493.64	Calculated Property
η	0.0003358	Pa×s	523.69	Calculated Property
η	0.0002323	Pa×s	553.75	Calculated Property
η	0.0001669	Pa×s	583.80	Calculated Property
η	0.0001239	Pa×s	613.86	Calculated Property
η	0.0000945	Pa×s	643.91	Calculated Property
η	0.0000739	Pa×s	673.96	Calculated Property
η	0.0000590	Pa×s	704.02	Calculated Property
η	0.0000480	Pa×s	734.07	Calculated Property
η	0.0000397	Pa×s	764.13	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorobenzyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.